U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H40N8O7
Molecular Weight 588.6559
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CILENGITIDE

SMILES

CC(C)[C@@H]1N(C)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O

InChI

InChIKey=AMLYAMJWYAIXIA-VWNVYAMZSA-N
InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H40N8O7
Molecular Weight 588.6559
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:22:48 UTC 2023
Edited
by admin
on Sat Dec 16 16:22:48 UTC 2023
Record UNII
4EDF46E4GI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CILENGITIDE
INN   MART.   MI   USAN   WHO-DD  
INN   USAN  
Official Name English
EMD-121974
Code English
Cilengitide [WHO-DD]
Common Name English
CILENGITIDE [MI]
Common Name English
EMD-12192
Code English
CILENGITIDE [MART.]
Common Name English
CILENGITIDE [USAN]
Common Name English
cilengitide [INN]
Common Name English
CYCLO(L-ARGINYLGLYCYL-L-.ALPHA.-ASPARTYL-D-PHENYLALANYL-N-METHYL-L-VALYL)
Common Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/03/184
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
NCI_THESAURUS C2144
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
FDA ORPHAN DRUG 205205
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
Code System Code Type Description
PUBCHEM
176873
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
CAS
188968-51-6
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
NCI_THESAURUS
C1834
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
ChEMBL
CHEMBL429876
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
MESH
C422910
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
USAN
NN-20
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
EVMPD
SUB25402
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
SMS_ID
100000089412
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
INN
7823
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
MERCK INDEX
m3546
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
CILENGITIDE
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
FDA UNII
4EDF46E4GI
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID9044035
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
DRUG BANK
DB11890
Created by admin on Sat Dec 16 16:22:49 UTC 2023 , Edited by admin on Sat Dec 16 16:22:49 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY